SCHEMBL10750205

SCHEMBL10750205

Cc1nn(C)c(O)c1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PKM P14618 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ GSK3A P49840 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10751196 0.83 ALDH1A1 (0.50) GSK3BALDH1A1
SCHEMBL10754025 0.80 KDM4E (0.43) ALDH1A1MAPTELANE
SCHEMBL10751737 0.80 LMNA (0.43) GSK3BALDH1A1MAPT
SCHEMBL10755815 0.80 HTT (0.52) ALDH1A1MAPTELANE
SCHEMBL10755526 0.80 MAPT (0.46) NR3C1GAAALDH1A1MAPTELANE
SCHEMBL10755186 0.80 MAPT (0.49) NR3C1GAAALDH1A1MAPT
SCHEMBL11603257 0.79 HTT (0.51) ALDH1A1MAPTELANE
SCHEMBL10753219 0.78 SRD5A2 (0.47) GAAALDH1A1PKMMAPTELANE
SCHEMBL10757879 0.78 LMNA (0.46) GSK3BCA1CA2GAAALDH1A1
SCHEMBL10758063 0.77 L3MBTL1 (0.44) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687858-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1987-08-18 — — US disclosed
US-4508910-A Herbicidal 4-benzoyl-5-hydroxy-pyrazales SANKYO COMPANY LTD. (JP) 1985-04-02 — — US disclosed
US-4414392-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY, LTD. (JP) 1983-11-08 — — US disclosed
US-4146726-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1979-03-27 — — US disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 — — US disclosed
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